2,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide

C24H33N3O3S — CID 16907251

IUPAC2,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2ccc3c(c2)CCCN3C)N2CCOCC2)c(C)c1
InChIInChI=1S/C24H33N3O3S/c1-18-6-9-24(19(2)15-18)31(28,29)25-17-23(27-11-13-30-14-12-27)21-7-8-22-20(16-21)5-4-10-26(22)3/h6-9,15-16,23,25H,4-5,10-14,17H2,1-3H3
InChIKeySDHWXRUVGKIWDS-UHFFFAOYSA-N
MW443.61 g/mol
LogP3.04
Rot. Bonds6

About 2,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide

2,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide (PubChem CID 16907251) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
PubChem CID16907251
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC Name2,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2ccc3c(c2)CCCN3C)N2CCOCC2)c(C)c1
InChIInChI=1S/C24H33N3O3S/c1-18-6-9-24(19(2)15-18)31(28,29)25-17-23(27-11-13-30-14-12-27)21-7-8-22-20(16-21)5-4-10-26(22)3/h6-9,15-16,23,25H,4-5,10-14,17H2,1-3H3
InChIKeySDHWXRUVGKIWDS-UHFFFAOYSA-N
XLogP3.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-methyl-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30578331
2,4-dimethyl-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 30578732
2-methoxy-4,5-dimethyl-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30578352
N-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide
CID 16907748
2-methoxy-5-methyl-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 40828642
N-[3-methyl-4-[[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]phenyl]acetamide
CID 30578465
2,5-difluoro-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 16907692
4-fluoro-2-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903236
2,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30578468
(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethanamine
CID 51675118
N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27369962
4-methyl-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 16907906

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide (CID 16907251) is 2,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(c2ccc3c(c2)CCCN3C)N2CCOCC2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The InChIKey is SDHWXRUVGKIWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-18-6-9-24(19(2)15-18)31(28,29)25-17-23(27-11-13-30-14-12-27)21-7-8-22-20(16-21)5-4-10-26(22)3/h6-9,15-16,23,25H,4-5,10-14,17H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide?
2,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide has a molecular weight of 443.61 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 16907251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).